4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-2,6-bis(trifluoromethyl)morpholine

C17H16F17NO2 — CID 130427260

IUPAC4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-2,6-bis(trifluoromethyl)morpholine
SMILESFC(C(F)(F)F)C(F)(F)C1CCCC(C(F)(C(F)N2CC(C(F)(F)F)OC(C(F)(F)F)C2)C(F)(F)F)O1
InChIInChI=1S/C17H16F17NO2/c18-10(16(29,30)31)13(21,22)7-3-1-2-6(36-7)12(20,17(32,33)34)11(19)35-4-8(14(23,24)25)37-9(5-35)15(26,27)28/h6-11H,1-5H2
InChIKeyDHYZLXRLGQZXJD-UHFFFAOYSA-N
MW589.29 g/mol
LogP6.22
Rot. Bonds5

About 4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-2,6-bis(trifluoromethyl)morpholine

4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-2,6-bis(trifluoromethyl)morpholine (PubChem CID 130427260) has the molecular formula C17H16F17NO2 and a molecular weight of 589.29 g/mol. Its IUPAC name is 4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-2,6-bis(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-2,6-bis(trifluoromethyl)morpholine
PubChem CID130427260
Molecular FormulaC17H16F17NO2
Molecular Weight589.29 g/mol
Exact Mass589.09
IUPAC Name4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-2,6-bis(trifluoromethyl)morpholine
SMILESFC(C(F)(F)F)C(F)(F)C1CCCC(C(F)(C(F)N2CC(C(F)(F)F)OC(C(F)(F)F)C2)C(F)(F)F)O1
InChIInChI=1S/C17H16F17NO2/c18-10(16(29,30)31)13(21,22)7-3-1-2-6(36-7)12(20,17(32,33)34)11(19)35-4-8(14(23,24)25)37-9(5-35)15(26,27)28/h6-11H,1-5H2
InChIKeyDHYZLXRLGQZXJD-UHFFFAOYSA-N
XLogP6.22
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.29
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-2,6-bis(trifluoromethyl)morpholine?
The IUPAC name of 4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-2,6-bis(trifluoromethyl)morpholine (CID 130427260) is 4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-2,6-bis(trifluoromethyl)morpholine.
What is the SMILES notation for 4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-2,6-bis(trifluoromethyl)morpholine?
The canonical SMILES for 4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-2,6-bis(trifluoromethyl)morpholine is FC(C(F)(F)F)C(F)(F)C1CCCC(C(F)(C(F)N2CC(C(F)(F)F)OC(C(F)(F)F)C2)C(F)(F)F)O1.
What is the InChIKey of 4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-2,6-bis(trifluoromethyl)morpholine?
The InChIKey is DHYZLXRLGQZXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F17NO2/c18-10(16(29,30)31)13(21,22)7-3-1-2-6(36-7)12(20,17(32,33)34)11(19)35-4-8(14(23,24)25)37-9(5-35)15(26,27)28/h6-11H,1-5H2.
What are the key properties of 4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-2,6-bis(trifluoromethyl)morpholine?
4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-2,6-bis(trifluoromethyl)morpholine has a molecular weight of 589.29 g/mol, XLogP of 6.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-2,6-bis(trifluoromethyl)morpholine is sourced from PubChem (CID 130427260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).